| SpectraBase Compound ID | GLLmfGDjc88 |
|---|---|
| InChI | InChI=1S/C14H14O5/c1-9(13(16)18-2)11(14(17)19-3)12(15)10-7-5-4-6-8-10/h4-8,11H,1H2,2-3H3 |
| InChIKey | CQXBWZWTCQRHQX-UHFFFAOYSA-N |
| Mol Weight | 262.26 g/mol |
| Molecular Formula | C14H14O5 |
| Exact Mass | 262.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWkijshMXdV |
|---|---|
| Name | Dimethyl 2-benzoyl-3-methylenebutanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.084123546 u |
| Formula | C14H14O5 |
| InChI | InChI=1S/C14H14O5/c1-9(13(16)18-2)11(14(17)19-3)12(15)10-7-5-4-6-8-10/h4-8,11H,1H2,2-3H3 |
| InChIKey | CQXBWZWTCQRHQX-UHFFFAOYSA-N |
| Molecular Weight | 262.261 g/mol |
| SMILES | C(C(C(C(=O)OC)=C)C(C=1C=CC=CC1)=O)(=O)OC |